Chlorine in PDB 6pfs: RSEGFP2 with A Chlorinated Chromophore in the Fluorescent on-State in A Contracted Unit Cell

The structure of RSEGFP2 with A Chlorinated Chromophore in the Fluorescent on-State in A Contracted Unit Cell, PDB code: 6pfs was solved by J.Chang, M.G.Romei, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.71 / 1.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.422, 59.246, 65.302, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 20.9

The binding sites of Chlorine atom in the RSEGFP2 with A Chlorinated Chromophore in the Fluorescent on-State in A Contracted Unit Cell (pdb code 6pfs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the RSEGFP2 with A Chlorinated Chromophore in the Fluorescent on-State in A Contracted Unit Cell, PDB code: 6pfs:

Chlorine binding site 1 out of 1 in the RSEGFP2 with A Chlorinated Chromophore in the Fluorescent on-State in A Contracted Unit Cell


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of RSEGFP2 with A Chlorinated Chromophore in the Fluorescent on-State in A Contracted Unit Cell within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl68 b:23.9 occ:1.00 CL A:OHD68 0.0 23.9 1.0 CE2 A:OHD68 1.8 20.4 1.0 CZ A:OHD68 2.7 21.6 1.0 CD2 A:OHD68 2.7 16.9 1.0 OH A:OHD68 2.9 19.2 1.0 CG1 A:VAL151 3.3 30.4 1.0 CB A:HIS149 3.6 19.1 1.0 ND1 A:HIS149 3.6 20.1 1.0 OG1 A:THR204 3.7 17.8 1.0 CG A:HIS149 3.9 20.7 1.0 CD1 A:ILE168 3.9 21.9 1.0 CE2 A:PHE166 3.9 20.9 1.0 CE1 A:OHD68 4.0 17.1 1.0 CG2 A:OHD68 4.0 15.5 1.0 CG2 A:THR204 4.1 20.3 1.0 CD2 A:PHE166 4.1 20.3 1.0 CB A:THR204 4.4 21.2 1.0 CD1 A:OHD68 4.5 19.8 1.0 CZ A:PHE166 4.5 20.0 1.0 CB A:VAL151 4.6 28.5 1.0 CE1 A:HIS149 4.6 21.3 1.0 CG2 A:VAL151 4.8 29.1 1.0 CG2 A:THR63 4.9 16.8 1.0 CA A:HIS149 4.9 17.5 1.0 CG A:PHE166 4.9 20.6 1.0 CD2 A:HIS149 5.0 21.7 1.0

J.Chang, M.G.Romei, S.G.Boxer. Structural Evidence of Photoisomerization Pathways in Fluorescent Proteins. J.Am.Chem.Soc. V. 141 15504 2019.
ISSN: ESSN 1520-5126
PubMed: 31533429
DOI: 10.1021/JACS.9B08356